httk (version 1.8)

calc_analytic_css: Calculate the analytic steady state concentration.

Description

This function calculates the analytic steady state plasma or venous blood concentrations as a result of infusion dosing for the three compartment and multiple compartment PBTK models.

Usage

calc_analytic_css(chem.name=NULL,chem.cas = NULL,parameters=NULL,daily.dose=1,
                  output.units='uM',model = 'pbtk',species='Human',
                  concentration='plasma',suppress.messages=F,
                  recalc.blood2plasma=F,default.to.human=F,tissue=NULL,
                  well.stirred.correction=T,adjusted.Funbound.plasma=T,regression=T,
                  restrictive.clearance=T,...)

Arguments

chem.name

Either the chemical name, CAS number, or the parameters must be specified.

chem.cas

Either the chemical name, CAS number, or the parameters must be specified.

parameters

Chemical parameters from parameterize_pbtk (for model = 'pbtk'), parameterize_3comp (for model = '3compartment), parmeterize_1comp(for model = '1compartment') or parameterize_steadystate (for model = '3compartmentss'), overrides chem.name and chem.cas.

daily.dose

Total daily dose, mg/kg BW.

output.units

Units for returned concentrations, defaults to uM (specify units = "uM") but can also be mg/L.

model

Model used in calculation, 'pbtk' for the multiple compartment model,'3compartment' for the three compartment model, '3compartmentss' for the three compartment steady state model, and '1compartment' for one compartment model.

species

Species desired (either "Rat", "Rabbit", "Dog", "Mouse", or default "Human").

suppress.messages

Whether or not the output message is suppressed.

concentration

Desired concentration type, 'blood' or default 'plasma'.

recalc.blood2plasma

Recalculates the ratio of the amount of chemical in the blood to plasma using the input parameters, calculated with hematocrit, Funbound.plasma, and Krbc2pu.

default.to.human

Substitutes missing rat values with human values if true.

tissue

Desired tissue conentration, overwrites concentration argument.

adjusted.Funbound.plasma

Uses adjusted Funbound.plasma when set to TRUE along with partition coefficients calculated with this value.

regression

Whether or not to use the regressions in calculating partition coefficients.

well.stirred.correction

Uses correction in calculation of hepatic clearance for well-stirred model if TRUE for model 1compartment and 3compartmentss. This assumes clearance relative to amount unbound in whole blood instead of plasma, but converted to use with plasma concentration.

restrictive.clearance

Protein binding not taken into account (set to 1) in liver clearance if FALSE.

...

Additional parameters passed to parameterize functions if parameters is NULL.

Value

Steady state concentration

%% ~Describe the value returned %% If it is a LIST, use %% \item{comp1 }{Description of 'comp1'} %% \item{comp2 }{Description of 'comp2'} %% ...

Details

Tissue concentrations are calculated for the pbtk model with oral infusion dosing. All tissues other than gut, liver, and lung are the product of the steady state plasma concentration and the tissue to plasma partition coefficient.

Examples

# NOT RUN {
calc_analytic_css(chem.name='Bisphenol-A',output.units='mg/L',
                  model='3compartment',concentration='blood')
calc_analytic_css(chem.name='Bisphenol-A',tissue='liver',species='rabbit',
                  default.to.human=TRUE,daily.dose=2)
# }